2-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromo-6-ethoxyphenyl acetate
Chemical Structure Depiction of
2-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromo-6-ethoxyphenyl acetate
2-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromo-6-ethoxyphenyl acetate
Compound characteristics
| Compound ID: | 4896-3518 |
| Compound Name: | 2-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromo-6-ethoxyphenyl acetate |
| Molecular Weight: | 545.41 |
| Molecular Formula: | C23 H21 Br N4 O5 S |
| Smiles: | CCOc1cc(cc(C2N(C(C)=O)c3ccccc3c3c(nc(nn3)SC)O2)c1OC(C)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8635 |
| logD: | 3.8635 |
| logSw: | -4.079 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.774 |
| InChI Key: | XWLWEYVLIQLSSI-QFIPXVFZSA-N |